4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepin-5-ylcarbonyl)-2-methyl-benzenecarbonitrile

Systemtic Name: 4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepin-5-ylcarbonyl)-2-methyl-benzenecarbonitrile Openeye Name: 4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepine-5-carbonyl)-2-methyl-benzonitrile CAS Name: 4-[6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepin-5-yl(oxo)methyl]-2-methylbenzonitrile IUPAC Name: 4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepine-5-carbonyl)-2-methylbenzonitrile Traditional Name: 4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepine-5-carbonyl)-2-methyl-benzonitrile Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CN3C4=CC=CC=C42)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CN3C4=CC=CC=C42)C#N

InChI

InChI=1S/C21H17N3O/c1-15-13-16(8-9-17(15)14-22)21(25)24-12-10-18-5-4-11-23(18)19-6-2-3-7-20(19)24/h2-9,11,13H,10,12H2,1H3